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Table 2 Optimized geometry parameters

From: Synthesis, DFT and molecular docking of novel (Z)-4-bromo-N-(4-butyl-3 (quinolin-3-yl)thiazol-2(3H)-ylidene)benzamide as elastase inhibitor

Sr. no

Compound Code

Optimization energy (Hartree)

Polarizability (α) (a.u.)

01

6

-4053.730138

212.856000

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BMC Chemistry

ISSN: 2661-801X

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